%chk=000189307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189307

0 1
O -0.669657 2.620163 0.139026
O -3.211153 2.182882 -0.594948
O 1.102096 3.577364 -0.721128
O 3.442357 -2.275372 0.235006
O 4.712893 -0.280109 0.033584
N -1.664799 -2.310782 -0.307090
C -1.788093 -0.967014 0.356465
C -3.296053 -0.586086 0.205663
C -0.920485 0.199882 -0.141108
C -1.286683 1.436439 0.716151
C -3.662505 0.591394 1.104353
C -4.007895 -1.924023 0.456857
C -2.793674 1.800457 0.723233
C -2.962952 -2.997934 0.054524
C 0.579298 0.045838 -0.066669
C -1.476100 -2.243714 -1.784535
C 1.333033 1.231129 -0.167394
C 1.214690 -1.206272 0.081935
C 0.658307 2.542774 -0.292577
C 2.751475 1.236154 -0.153732
C 2.592822 -1.195286 0.103299
C 3.353219 0.009194 -0.016203
C 4.808617 -1.731775 0.191839
H -1.540270 -1.158321 1.435232
H -3.489517 -0.265735 -0.852108
H -1.189334 0.420897 -1.212364
H -0.897384 1.340382 1.753760
H -4.730891 0.857213 0.963353
H -3.539894 0.348987 2.174953
H -4.930712 -2.010618 -0.137341
H -4.306945 -2.039200 1.511294
H -2.967080 2.668340 1.400150
H -2.735232 -3.668121 0.909179
H -3.331947 -3.638262 -0.765864
H -1.422110 -3.271514 -2.180005
H -0.507664 -1.767240 -2.007747
H -2.263349 -1.705065 -2.331950
H 0.646376 -2.137482 0.178842
H -2.604052 2.884279 -0.941064
H 3.313143 2.166654 -0.251429
H 5.301981 -2.140303 -0.700130
H 5.280322 -1.938796 1.161588


%chk=000189307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189307

0 1
O -0.666970 2.696545 0.086636
O -3.266656 2.176939 -0.746324
O 1.325712 3.688834 -0.446211
O 3.433031 -2.331232 0.153608
O 4.754450 -0.324100 0.143122
N -1.648740 -2.273863 -0.373348
C -1.794331 -0.940312 0.299306
C -3.315887 -0.621343 0.201189
C -0.939285 0.238655 -0.200219
C -1.341942 1.478852 0.631973
C -3.691371 0.602257 1.052689
C -3.952098 -1.990598 0.546269
C -2.845921 1.816149 0.615014
C -2.825340 -3.037414 0.177588
C 0.575355 0.088725 -0.084490
C -1.625544 -2.221276 -1.858349
C 1.359584 1.283269 -0.074450
C 1.205710 -1.183079 -0.012012
C 0.726802 2.629515 -0.164528
C 2.785806 1.241858 -0.011017
C 2.599715 -1.197105 0.064658
C 3.374864 -0.014143 0.060296
C 4.829669 -1.807591 0.186204
H -1.546857 -1.111402 1.372966
H -3.536231 -0.366472 -0.853707
H -1.211436 0.455936 -1.254533
H -1.004976 1.345131 1.681223
H -4.758056 0.865895 0.937936
H -3.511766 0.398313 2.127996
H -4.885874 -2.168701 -0.013944
H -4.193428 -2.050310 1.624706
H -3.012753 2.674203 1.299368
H -2.501504 -3.580352 1.084727
H -3.162833 -3.784828 -0.560522
H -1.585350 -3.253801 -2.245934
H -0.708210 -1.707452 -2.196632
H -2.501699 -1.711520 -2.323028
H 0.597705 -2.095000 -0.012340
H -2.670991 2.911075 -1.050824
H 3.361179 2.170323 -0.024332
H 5.366119 -2.169709 -0.707463
H 5.304547 -2.119474 1.131629


